Molecule card · MolClass #49635
24790603
24790603: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24790603Mitochondrial Fusion · compound_name
- MolClass ID
- 49635
- InChIKey
- VMILMBVKUUHGQE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c(NC(NCCCSC1CCCCC1)=S)c(C)c2
- Standard InChI
- InChI=1S/C19H30N2S2/c1-14-12-15(2)18(16(3)13-14)21-19(22)20-10-7-11-23-17-8-5-4-6-9-17/h12-13,17H,4-11H2,1-3H3,(H2,20,21,22)
- Stored Murcko scaffold
- S(CCCN[CH]Nc1ccccc1)C2CCCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 24787277#49857
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.588 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.574
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24790603